CID 19623311

1006484-27-0

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CN1C(=C(C=N1)C(=O)N)C(=O)O
InChI
InChI=1S/C6H7N3O3/c1-9-4(6(11)12)3(2-8-9)5(7)10/h2H,1H3,(H2,7,10)(H,11,12)
InChIKey
UAKJCPBNPZVVFY-UHFFFAOYSA-N
Compound name
4-carbamoyl-2-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

169.04874 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 133.8
[M+Na]+ 192.03796 142.4
[M+NH4]+ 187.08256 138.9
[M+K]+ 208.01190 142.3
[M-H]- 168.04146 131.8
[M+Na-2H]- 190.02341 136.3
[M]+ 169.04819 133.8
[M]- 169.04929 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe